N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide

Systemtic Name: N-[2,6-bis(bromanyl)-4-nitro-phenyl]-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Openeye Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide CAS Name: N-(2,6-dibromo-4-nitrophenyl)-2-(1,3,5-trimethyl-4-pyrazolyl)-4-quinolinecarboxamide IUPAC Name: N-(2,6-dibromo-4-nitrophenyl)-2-(1,3,5-trimethylpyrazol-4-yl)quinoline-4-carboxamide Traditional Name: N-(2,6-dibromo-4-nitro-phenyl)-2-(1,3,5-trimethylpyrazol-4-yl)cinchoninamide Formula: C22H17Br2N5O3 MolecularWeight: 559.21008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

Isomeric SMILES

CC1=C(C(=NN1C)C)C2=NC3=CC=CC=C3C(=C2)C(=O)NC4=C(C=C(C=C4Br)[N+](=O)[O-])Br

InChI

InChI=1S/C22H17Br2N5O3/c1-11-20(12(2)28(3)27-11)19-10-15(14-6-4-5-7-18(14)25-19)22(30)26-21-16(23)8-13(29(31)32)9-17(21)24/h4-10H,1-3H3,(H,26,30)